1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide

C17H18N2O — CID 175945732

IUPAC1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C2(C(N)=O)CCC2)cc1-c1ccccn1
InChIInChI=1S/C17H18N2O/c1-12-6-7-13(17(16(18)20)8-4-9-17)11-14(12)15-5-2-3-10-19-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H2,18,20)
InChIKeyNHBITMODXADXDH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide

1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 175945732) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide
PubChem CID175945732
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(C2(C(N)=O)CCC2)cc1-c1ccccn1
InChIInChI=1S/C17H18N2O/c1-12-6-7-13(17(16(18)20)8-4-9-17)11-14(12)15-5-2-3-10-19-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H2,18,20)
InChIKeyNHBITMODXADXDH-UHFFFAOYSA-N
XLogP2.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide (CID 175945732) is 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide is Cc1ccc(C2(C(N)=O)CCC2)cc1-c1ccccn1.
What is the InChIKey of 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is NHBITMODXADXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-7-13(17(16(18)20)8-4-9-17)11-14(12)15-5-2-3-10-19-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H2,18,20).
What are the key properties of 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide?
1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridin-2-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 175945732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).